5,6,7-trimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one

Systemtic Name: 5,6,7-trimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]-5,6,7-trimethoxy-indan-1-one CAS Name: 5,6,7-trimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-2,3-dihydroinden-1-one IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6,7-trimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-5,6,7-trimethoxy-indan-1-one Formula: C25H31NO4 MolecularWeight: 409.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C25H31NO4/c1-28-21-15-19-14-20(23(27)22(19)25(30-3)24(21)29-2)13-17-9-11-26(12-10-17)16-18-7-5-4-6-8-18/h4-8,15,17,20H,9-14,16H2,1-3H3